3-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-5-fluoro-1H-indole

C23H28FN3O — CID 177378521

IUPAC3-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-5-fluoro-1H-indole
SMILESCCOc1ccccc1N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C23H28FN3O/c1-2-28-23-8-4-3-7-22(23)27-14-12-26(13-15-27)11-5-6-18-17-25-21-10-9-19(24)16-20(18)21/h3-4,7-10,16-17,25H,2,5-6,11-15H2,1H3
InChIKeyRIEBHVBGMUWBCP-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.46
Rot. Bonds7

About 3-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-5-fluoro-1H-indole

3-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-5-fluoro-1H-indole (PubChem CID 177378521) has the molecular formula C23H28FN3O and a molecular weight of 381.50 g/mol. Its IUPAC name is 3-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-5-fluoro-1H-indole.

Molecular Properties

Compound Name3-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-5-fluoro-1H-indole
PubChem CID177378521
Molecular FormulaC23H28FN3O
Molecular Weight381.50 g/mol
Exact Mass381.22
IUPAC Name3-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-5-fluoro-1H-indole
SMILESCCOc1ccccc1N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C23H28FN3O/c1-2-28-23-8-4-3-7-22(23)27-14-12-26(13-15-27)11-5-6-18-17-25-21-10-9-19(24)16-20(18)21/h3-4,7-10,16-17,25H,2,5-6,11-15H2,1H3
InChIKeyRIEBHVBGMUWBCP-UHFFFAOYSA-N
XLogP4.46
TPSA31.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1H-indole
CID 90469348
5-iodo-3-[3-[4-(2-phenoxyphenyl)piperazin-1-yl]propyl]-1H-indole
CID 10143502
3-[3-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-5-methoxy-1H-indole
CID 72734844
3-[3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]propyl]-5-fluoro-1H-indole
CID 90469554
3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile;hydrochloride
CID 11464426
6-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-1H-pyridin-2-one
CID 141385793
3-[4-[4-(2-phenoxyphenyl)piperazin-1-yl]butyl]-1H-indole
CID 10113204
5-fluoro-3-[3-[4-(2-methoxy-5-methylpyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole;dihydrochloride
CID 22372071
5-fluoro-3-[3-[4-[4-(3-methyl-2-pyridinyl)phenyl]piperazin-1-yl]propyl]-1H-indole
CID 141399451
3-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-N-pentan-3-yl-N-phenylpropanamide
CID 175406463
3-[2-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]phenoxy]-N,N-dimethylaniline
CID 10226137
3-[4-[4-(2-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
CID 10293352

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-5-fluoro-1H-indole?
The IUPAC name of 3-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-5-fluoro-1H-indole (CID 177378521) is 3-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-5-fluoro-1H-indole.
What is the SMILES notation for 3-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-5-fluoro-1H-indole?
The canonical SMILES for 3-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-5-fluoro-1H-indole is CCOc1ccccc1N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1.
What is the InChIKey of 3-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-5-fluoro-1H-indole?
The InChIKey is RIEBHVBGMUWBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O/c1-2-28-23-8-4-3-7-22(23)27-14-12-26(13-15-27)11-5-6-18-17-25-21-10-9-19(24)16-20(18)21/h3-4,7-10,16-17,25H,2,5-6,11-15H2,1H3.
What are the key properties of 3-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-5-fluoro-1H-indole?
3-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-5-fluoro-1H-indole has a molecular weight of 381.50 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-5-fluoro-1H-indole is sourced from PubChem (CID 177378521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).